(3-Nitrophenyl)acetonitrile

CAS Registry Number®

621-50-1

CAS Name

(3-Nitrophenyl)acetonitrile

Molecular Formula

C8H6N2O2

Molecular Mass

162.15

Cite this Page

(3-Nitrophenyl)acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=621-50-1 (retrieved 2024-11-21) (CAS RN: 621-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160-165 °C @ Press: 3 Torr

  • Melting Point (2)

    63 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2

InChIKey

InChIKey=WAVKEPUFQMUGBP-UHFFFAOYSA-N

SMILES

C(C#N)C1=CC(N(=O)=O)=CC=C1

Canonical SMILES

N#CCC=1C=CC=C(C1)N(=O)=O

Other Names for this Substance

  • Benzeneacetonitrile, 3-nitro-
  • Acetonitrile, (m-nitrophenyl)-
  • 3-Nitrobenzeneacetonitrile
  • (m-Nitrophenyl)acetonitrile
  • (3-Nitrophenyl)acetonitrile

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CAS INSIGHTSTM
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